Spectrum VF-NPL-QEHF005776 for 8-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxychromen-2-one

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C16H18O5/c1-9(2)14(18)16(20-4)13-11(19-3)7-5-10-6-8-12(17)21-15(10)13/h5-8,14,16,18H,1H2,2-4H3
C16H18O5
290.115423676
O=C1OC2=C(C=C1)C=CC(OC)=C2C(OC)C(O)C(=C)C
DBPWCIPDCMVUFT-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
35HCD
MX_C2_368_p05_F02_POS_QEHF_1782.raw
14
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
1.2716962474570912
0.23825520838780673
313.1046447753906
[M+Na]+
1.7530899606031698 ppm
-5.48900609373959E-4 Da